(2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one

C19H26N4O2 — CID 95271780

IUPAC(2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1)N1CCC[C@H](n2cnc3ccccc32)C1
InChIInChI=1S/C19H26N4O2/c1-15(19(24)21-9-11-25-12-10-21)22-8-4-5-16(13-22)23-14-20-17-6-2-3-7-18(17)23/h2-3,6-7,14-16H,4-5,8-13H2,1H3/t15-,16-/m0/s1
InChIKeyHAKZVYYWMGUSKV-HOTGVXAUSA-N
MW342.44 g/mol
LogP1.92
Rot. Bonds3

About (2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one

(2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 95271780) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID95271780
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1)N1CCC[C@H](n2cnc3ccccc32)C1
InChIInChI=1S/C19H26N4O2/c1-15(19(24)21-9-11-25-12-10-21)22-8-4-5-16(13-22)23-14-20-17-6-2-3-7-18(17)23/h2-3,6-7,14-16H,4-5,8-13H2,1H3/t15-,16-/m0/s1
InChIKeyHAKZVYYWMGUSKV-HOTGVXAUSA-N
XLogP1.92
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

1-[(3R)-1-propan-2-ylpiperidin-3-yl]benzimidazole
CID 141346102
(2R)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95592437
2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 46430300
2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43502685
(2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 100841194
2-(3-acetylpiperidin-1-yl)-1-morpholin-4-ylpropan-1-one
CID 63847036
(2R)-2-morpholin-4-yl-1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95337848
4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 22047977
(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one
CID 95313077
5-fluoro-1-(1-propan-2-ylpiperidin-3-yl)benzimidazole
CID 141100470
2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918614
(2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95280348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 95271780) is (2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is C[C@@H](C(=O)N1CCOCC1)N1CCC[C@H](n2cnc3ccccc32)C1.
What is the InChIKey of (2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is HAKZVYYWMGUSKV-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15(19(24)21-9-11-25-12-10-21)22-8-4-5-16(13-22)23-14-20-17-6-2-3-7-18(17)23/h2-3,6-7,14-16H,4-5,8-13H2,1H3/t15-,16-/m0/s1.
What are the key properties of (2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
(2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 342.44 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 95271780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).